3-[(4-bromanylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-bromophenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-bromophenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C14H13BrN6O3S MolecularWeight: 425.26042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])COC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])COC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H13BrN6O3S/c1-19-13(8-24-12-4-2-10(15)3-5-12)17-18-14(19)25-9-20-7-11(6-16-20)21(22)23/h2-7H,8-9H2,1H3